{"id":"W3022352011","doi":"10.1039/d0ob00910e","title":"Efficient synthesis of a galectin inhibitor clinical candidate (TD139) using a Payne rearrangement/azidation reaction cascade","year":2020,"lang":"en","type":"article","venue":"Organic & Biomolecular Chemistry","topic":"Galectins and Cancer Biology","field":"Immunology and Microbiology","cited_by":26,"is_retracted":false,"has_abstract":true,"ca_institutions":"Université Laval","funders":"Natural Sciences and Engineering Research Council of Canada; Fonds de recherche du Québec – Nature et technologies; Université Laval","keywords":"Cascade; Cascade reaction; Rearrangement reaction; Chemistry; Combinatorial chemistry; Biochemistry; Chromatography","routes":{"ca_aff":true,"ca_fund":true,"ca_venue":false,"about_ca":false,"invisible_to_affiliation_only":false},"retraction":null,"screen":null,"direct_labels":[],"prediction":{"model_version":"codex-gemma-dda1882f352a","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0002557994,0.0001946738,0.0003636118,0.00002893798,0.00009805259,0.000008475575,0.0001706157,0.0003940229,0.0006852904],"category_scores_gemma":[0.000380183,0.000188854,0.0001540388,0.0003173007,0.0001722287,0.000015849,0.00009646717,0.0002891653,0.00006218448],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00008684072,"about_ca_system_score_gemma":0.0001651799,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0001090431,"about_ca_topic_score_gemma":0.000005381062,"domain_scores_codex":[0.9984885,0.0001612622,0.00051512,0.0004822545,0.00006032032,0.0002924892],"domain_scores_gemma":[0.999212,0.00005323463,0.0003125884,0.0002744096,0.00008980937,0.00005799468],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"bench_or_experimental","study_design_gemma":"bench_or_experimental","study_design_scores_codex":[0.0002030935,0.0001264298,0.0005040736,0.0000868477,0.0001867086,0.00001094678,0.0001121512,0.000001114351,0.9971046,0.000001275361,0.0002365712,0.00142616],"study_design_scores_gemma":[0.0007734857,0.0000838921,0.0004168331,0.00004702921,0.000155284,0.00009114717,0.0001615126,0.00007635524,0.9958686,0.000001843868,0.002137061,0.0001869675],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9934055,0.0007552504,0.004625312,0.000368588,0.0002695428,0.0001584417,0.00003455436,0.00006055102,0.0003222406],"genre_scores_gemma":[0.9994197,0.00006066928,0.00009860213,0.0001335569,0.0001227535,0.000009669847,0.0000715566,0.00002780591,0.00005568723],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.006014179,"threshold_uncertainty_score":0.7701241,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01710542831153293,"score_gpt":0.2672329573816195,"score_spread":0.2501275290700865,"validation_status":"score_only:v0-immature-baseline","note":"Baseline scores from an immature model (maturity gate not passed). Scores rank; they never assert a category."}}